methyl 2,5-dimethylindolizine-1-carboxylate

C12H13NO2 — CID 121000758

IUPACmethyl 2,5-dimethylindolizine-1-carboxylate
SMILESCOC(=O)c1c(C)cn2c(C)cccc12
InChIInChI=1S/C12H13NO2/c1-8-7-13-9(2)5-4-6-10(13)11(8)12(14)15-3/h4-7H,1-3H3
InChIKeyFIZKVBKRMHJLOX-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.34
Rot. Bonds1

About methyl 2,5-dimethylindolizine-1-carboxylate

methyl 2,5-dimethylindolizine-1-carboxylate (PubChem CID 121000758) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is methyl 2,5-dimethylindolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,5-dimethylindolizine-1-carboxylate
PubChem CID121000758
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Namemethyl 2,5-dimethylindolizine-1-carboxylate
SMILESCOC(=O)c1c(C)cn2c(C)cccc12
InChIInChI=1S/C12H13NO2/c1-8-7-13-9(2)5-4-6-10(13)11(8)12(14)15-3/h4-7H,1-3H3
InChIKeyFIZKVBKRMHJLOX-UHFFFAOYSA-N
XLogP2.34
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dimethylindolizine-1-carboxylate?
The IUPAC name of methyl 2,5-dimethylindolizine-1-carboxylate (CID 121000758) is methyl 2,5-dimethylindolizine-1-carboxylate.
What is the SMILES notation for methyl 2,5-dimethylindolizine-1-carboxylate?
The canonical SMILES for methyl 2,5-dimethylindolizine-1-carboxylate is COC(=O)c1c(C)cn2c(C)cccc12.
What is the InChIKey of methyl 2,5-dimethylindolizine-1-carboxylate?
The InChIKey is FIZKVBKRMHJLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-7-13-9(2)5-4-6-10(13)11(8)12(14)15-3/h4-7H,1-3H3.
What are the key properties of methyl 2,5-dimethylindolizine-1-carboxylate?
methyl 2,5-dimethylindolizine-1-carboxylate has a molecular weight of 203.24 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dimethylindolizine-1-carboxylate is sourced from PubChem (CID 121000758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).